![CAS 830346-51-5 Carbamic acid, N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/830346-51-5.gif)
CAS RN: 830346-51-5
Carbamic acid, N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester
- Product code: SSC-191031
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
830346-51-5 / tert-butyl N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]carbamate
Basic Information
CAS
830346-51-5
Multi CAS
Yes
Molecular Formula
C33F5H32N3O5
Molecular Weight
645.600000
Exact Mass
645.226212
InChI
InChI=1S/C33H32F5N3O5/c1-19-27(21-13-9-16-26(45-5)28(21)35)29(42)41(18-25(20-11-7-6-8-12-20)39-30(43)46-32(2,3)4)31(44)40(19)17-22-23(33(36,37)38)14-10-15-24(22)34/h6-16,25H,17-18H2,1-5H3,(H,39,43)/t25-/m0/s1
InChIKey
UOUIRPGFUIEVPG-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
24
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
160.7
TPSA
91.56
LogP / Solubility
WLOGP
6.61
MLOGP
5.87
XLogP3
6.2
Consensus LogP
6.23
Log S (ESOL)
-7.86
Class (ESOL)
Insoluble
Log S (Ali)
-9.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 830354-48-8 2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid,2-(2-hydroxyethylamino)ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/830354-48-8.gif)
